UCSF

ZINC55183011

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.84 13.6 -36.12 2 4 1 50 412.642 13
Hi High (pH 8-9.5) 7.84 11.3 -14.69 1 4 0 48 411.634 13
Lo Low (pH 4.5-6) 7.84 14.62 -90.45 3 4 2 51 413.65 13

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )